Vitas-M small molecule compound
(4E)-2-(2-methoxyphenyl)-4-[(pyrimidin-2-ylamino)methylidene]isoquinoline-1,3(2H,4H)-dione
Catalog ID
STK574281
SMILES COc1ccccc1N1C(=O)/C(=C/Nc2ncccn2)/c2c(C1=O)cccc2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H16N4O3 MW 372.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O3/c1-28-18-10-5-4-9-17(18)25-19(26)15-8-3-2-7-14(15)16(20(25)27)13-24-21-22-11-6-12-23-21/h2-13H,1H3,(H,22,23,24)/b16-13+InChIKey
ZTOJCGIRZTYUAY-DTQAZKPQSA-NSynonyms
(4E)2(2methoxyphenyl)4((pyrimidin2ylamino)methylidene)isoquinoline13(2H4H)dione
(4E)2(2METHOXYPHENYL)4((PYRIMIDIN2YLAMINO)METHYLIDENE)ISOQUINOLINE13DIONE
(E)2(2methoxyphenyl)4((pyrimidin2ylamino)methylene)isoquinoline13(2H4H)dione
2(2METHOXYPHENYL)4(1(PYRIMIDIN2YLAMINO)METH(E)YLIDENE)4HISOQUINOLINE13DIONE
COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3C(=CNC4=NC=CC=N4)C2=O
COc1ccccc1N1C(=O)C(=CNc2ncccn2)c2c(C1=O)cccc2
InChI=1SC21H16N4O3c128181054917(18)2519(26)15832714(15)16(20(25)27)13242122116122321h213H1H3(H222324)b1613+
MFCD06603678
ZINC000006166225
ZINC06166225
ZINC6166225
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